N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide

C11H10N4O2 — CID 19614759

IUPACN-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C11H10N4O2/c12-10(16)7-1-3-8(4-2-7)14-11(17)9-5-6-13-15-9/h1-6H,(H2,12,16)(H,13,15)(H,14,17)
InChIKeyZJWQDRVJXPFMLJ-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.76
Rot. Bonds3

About N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide

N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19614759) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19614759
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C11H10N4O2/c12-10(16)7-1-3-8(4-2-7)14-11(17)9-5-6-13-15-9/h1-6H,(H2,12,16)(H,13,15)(H,14,17)
InChIKeyZJWQDRVJXPFMLJ-UHFFFAOYSA-N
XLogP0.76
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 63078720
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide
CID 61393914
N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 103789326
N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 723660
[4-(phenylcarbamoyl)phenyl]methyl 1H-pyrazole-5-carboxylate
CID 46428826
N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide
CID 114990663
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 43073751
N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 71828964
1H-pyrazole-5-carboxamide;hydrate
CID 172743817

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide (CID 19614759) is N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide is NC(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZJWQDRVJXPFMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-10(16)7-1-3-8(4-2-7)14-11(17)9-5-6-13-15-9/h1-6H,(H2,12,16)(H,13,15)(H,14,17).
What are the key properties of N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide?
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 230.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19614759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).